UCSF

ZINC65493121

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 28 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.21 3.45 -12.94 2 8 0 88 383.452 4
Lo Low (pH 4.5-6) 2.21 3.89 -45.83 3 8 1 92 384.46 4
Lo Low (pH 4.5-6) 2.21 4.56 -48.89 3 8 1 92 384.46 4

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.